Lab Solutions DBSystem Users Guide Database
Lab Solutions DBSystem Users Guide Database
Aug. 2017
LabSolutions DB
Indication Meaning
! CAUTION Indicates a potentially hazardous situation which, if not
avoided, may result in minor to moderate injury or equipment
damage.
Emphasizes additional information that is provided to ensure
the proper use of this product.
^ Reference Indicates the location of related reference information.
[] Indicates the names of buttons, menu options, setting
options, windows/sub-windows, and icons that are displayed
in a window.
Example: Click [OK].
1. Period: Please contact your Shimadzu representative for information about the
period of this warranty.
3. Limitation of (1) In no event will Shimadzu be liable for any lost revenue, profit or
data, or for special, indirect, consequential, incidental or punitive
Liability: damages, however caused regardless of the theory of liability,
arising out of or related to the use of or inability to use the product,
even if Shimadzu has been advised of the possibility of such
damage.
(2) In no event will Shimadzu’s liability to you, whether in contract, tort
(including negligence), or otherwise, exceed the amount you paid
for the product.
4. Exceptions: Failures caused by the following are excluded from the warranty, even
if they occur during the warranty period.
1) Improper product handling
* Warranty periods for products with special specifications and systems are provided separately.
* The license cannot be reissued if you lose the license certificate or the USB dongle.
1 System Administration
1.1 System Administration Functions ........................................................................1
1.1.1 Open System Administrator Window.................................................................. 1
1.1.2 System Administration Functions ....................................................................... 3
2 Data Management
2.1 File Formats.......................................................................................................49
2.1.1 Method Files..................................................................................................... 49
2.1.2 Data Files ......................................................................................................... 50
2.1.3 Report Format Files.......................................................................................... 50
2.1.4 Batch Files ....................................................................................................... 51
2.1.5 UV Spectrum Files ........................................................................................... 51
2.1.6 Other Files........................................................................................................ 51
5 Appendices
5.1 Set the Instrument Information ........................................................................133
5.1.1 Administer PC Information in a Standalone Configuration ............................. 133
5.1.2 Administer an Instrument in a Standalone Configuration ............................... 135
The various system administration functions in this software include system security, user
administration, rounding of numerical values, and setting the number of significant digits. The system
operation history can be searched and checked in the [Log Browser]. The operating status of the 1
system is checked in the [Output Window].
This section describes the procedures for setting the various system administration functions.
1
1.1 System Administration Functions 1
The software contains functions that meet the reliability requirements mandated in various regulations.
Account policies that prevent illegal access such as the minimum number of characters in passwords,
password update interval, and the permitted number of entry attempts are set in Security Policy section of
1
this software. The audit trail function records the history of all changes to instrument parameters and data
processing parameters. The log browser allows you to quickly search the system operation history.
This section describes the system administration functions of the software.
1
1.1.1 Open System Administrator Window 1
Access each of the system administration functions from the [System Administrator] sub-window of the
[LabSolutions Main] window. 1
1 Double-click the icon on the Desktop.
1
2 Enter a [User ID] and [Password], and click [OK].
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System Users Guide 1
1 System Administration
Function Contents
Security Policy Settings
System Policies The audit trail parameters for system administration functions and the time for
automatic screen lock are set on this tab.
1
Signature Policies The signature level, signature information, position and other parameters for
signing into data acquisition results are set.
Account Policies The password policy parameters, number of login retries, and illegal access
notification are set on this tab.
Instrument Policies The audit trail parameters and data access limitations are set on this tab.
Project Administration Set these parameters when managing data acquisition results and methods by
individual projects. Registering users and analytical instruments by individual
projects and strictly setting user operation rights make it easier to manage data
since access rights for accessing acquired data can be restricted.
User Administration
User Administration Register new users, change users, and set/change passwords in the User
Administration window.
User Group Administration Set user groups by department or work unit. Since individual user groups can be
registered to projects, operations become simpler when more detailed
management of members belonging to projects is required.
Rights Groups Administration The rights for groups of users are assigned in this window.
Forced Logout Use this window to forcibly logout users that are currently logged into the
software.
Release PC Lockout Use this window to release PCs that were locked out of the software system as a
result of an illegal access.
Release User Lockout Use this window to release users that were locked out of the software system as
a result of an illegal access.
Log Browser System-related operation logs can be filtered, displayed and printed from this
window.
Instrument Administration Use this window to administer the PCs and instruments that are connected to the
system.
System Settings
Table Definition Edits the title of the sample information column in the [DataManager] sub-
window.
Printer Definition Sets the printer to output data acquisition results.
Data Proc. Settings Sets rounding of quantitation calculation results and the number of digits to
display.
Report Set Settings Sets the contents and printing details of report sets created in the [DataManager]
sub-window.
Report Confirmation Settings Configures settings for the report check function in the [DataManager] sub-
window.
Validation
PC Information Displays information about the PCs where the software was installed.
Check the Program Files Determines whether the software program files installed on the PC have been
altered.
System Administration A summary of printing system information, such as security policy, lists of user
Information Printing and right groups, and project information, can be printed.
Backup Use this function to back up acquired data and other information in the database.
Restoration Use this function for restoring backed up data to the system.
Customization Information Use this function to initialize or copy customization information (e.g. the
software's sub-window layouts, color settings, and assistant bars) from one user
to another.
• Users that are assigned system administrator rights possess the rights to all functions.
• Refer to Help for information on the rights required for each function.
• Please start the account with the window administrator when you display PC information in the terminal
service environment.
• Log in with a user ID having the [System Administration] rights to set security policies.
• Settings made in the [Security Policy Settings] sub-window are enabled when the next user logs into the
software.
• When LabSolutions is set to the electronic recording/electronic signature (ER/ES) mode, settings
recommended in terms of laws and ordinances among those described below are automatically set.For
details on settings set automatically in the ER/ES mode, see the "ER/ES" column in the table at the
bottom of each sub-window for the setup procedure described later.
^ Reference
For details on how to set to the ER/ES mode, refer to the "Installation & Maintenance Guide”.
Settings made in the [Security Policy Settings] sub-window are applied to all projects.
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0
a
To assure the integrity of file logs, this setting cannot be deselected once it is set.
2 When this checkbox is selected, a notification message is displayed if the file update date is -
older than the master file when meta files are opened.
^ Reference
Selecting the checkboxes 1 enables setting of this checkbox.
3 When a checkbox 2 and this checkbox are selected, the message for an overwrite check is -
displayed.
4 Select this checkbox to prohibit returning to data obtained when acquisition was made from -
version-administrated past data.
5 Select this checkbox to restrict copying and deletion of data files between projects. Selected
6 Select this checkbox to prohibit editing of data information displayed in the [Data Manager] sub- Selected
window.
^ Reference
For details on operations in the [Data Manager] sub-window, see "2.3 Other Functions in
Data Manager.”Selected
7 When these checkboxes are selected, setting of security policy settings in individual projects -
and changes to the operation rights of users belonging to projects are prohibited so that the
projects follow the settings of the entire system.
8 Select these items to cause the [Audit Trail Log - Input Reason] sub-window to open and require Selected
entry of a reason for the security policy change or when a change is made in user administration (security policy)
such as the addition of a user account or a change to user rights.
Once the audit trail log setting is selected it cannot be deselected to assure the integrity of
logs.
^ Reference
The change reasons are recorded with the corresponding events in each of the audit trail
logs, and can be checked by opening the audit trail log in [Log Browser] (P.45) then double-
clicking the respective event row.
9 "Local cache" contains LabSolutions file information temporarily saved on PCs to speed up Selected
operations. Select one of these checkboxes to increase data security even more. (deleted at logoff)
0 Select these to disable the e-mail delivery or messaging function for security reasons. Selected
^ Reference
When the e-mail delivery or messaging function is used, a message can be sent when an
error or warning occurs on the software, when batch processing starts or ends, and when
startup or shutdown ends. This allows the other PCs on the network to know how data
acquisition is progressing.
Refer to Help for details.
a Use this item to set a screen lock wait time. The screen is automatically locked if no operations 5
are performed on screen within the preset time.
^ Reference
"1.3.2 Screen Lock to Protect System" P.41
Signature Policies
With signature policies, the signature level for signing into data acquisition results and the size, position
and other information of signatures is set in the [Data Manager] sub-window.
^ Reference
For details on signature operations in the Data Manager, refer to "2.2.8 Sign into PDF Files" P.64.
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3 5
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Account Policies
Determine how the user logs into the software, the minimum number of characters in passwords, password
expiration date, and lockout operations to prevent illegal access.
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•
The administrator PC or other PCs can be notified of the information of users and PCs that are locked out of
the LabSolutions system because of a wrongly entered password or an illegal access. To notify illegal
access, perform the procedure on the following page.
In the [SMTP Server Settings] sub-window, set the name and port No. of the mail (SMTP) server to
be used for sending e-mails.
Instrument Policies
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a
b
c
^ Reference
"3.1.2 Audit Trail Log in System Configuration Files" P.107
• Log in with a user ID having the [Permit User Administration] rights to register, change or delete rights
groups.
• If [System Administrator] or [Permit User Administration] is selected, operations cannot be assigned in
groups. The rights must be individually assigned in the [Add User] (P.16) or the [Edit User] sub-windows
(P.19).
1 Double-click the [User Administration] folder icon in the [Administration Tools] sub-
window of the [LabSolutions Main] window.
3 Click [Add].
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2
There are two default rights groups, [Test Manager] and [Operator].
1 Double-click the name of the group to change in the [Rights Group Administration] sub-
window, or select the rights group and click [Edit].
• The edited operation rights for the users assigned to the selected group are enabled at the next
login.
• Refer to Help for details on the operation rights.
To register, change or delete users, log in by a user ID with [Permit User Administration] selected.
New Users
1 Double-click the [User Administration] folder icon in the [Administration Tools] sub-
window of the [LabSolutions Main] window.
3 Click [Add].
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1 Enter the user ID that will be used to log into the software.
2 The User ID can be up to 31 characters in length. The User ID is not case-sensitive. All spaces
entered before or after text strings are ignored.
Identical User IDs cannot be registered.
Enter the name of the user that will be displayed in the system.
3 If the [Minimum Length] of the password is set to 1 or more on the [Account] tab of the [Security
Policy Settings] sub-window, enter the password that will be used at user login. Enter the same
password in the [Confirm Password] box.
Other Operations
• If [System Administrator (Permit all administration)] is selected, [Permit User Administration] is
automatically selected and that user becomes the system administrator.
• Click [Details] to enter the user's detailed information.
• Select [Disable Account] to stop a user from logging into the software.
• If a user has been disabled, first deselect [Disable Account] to enable the user, and then change
the desired settings.
• The system administrator (Admin) set at software installation cannot be deleted. Note that user
IDs can be only be changed one time.
• If [Input reasons for the changes of user administration] is selected on the [System] tab (P.4) of
the [Security Policy Settings] sub-window, a window opens to allow input of the reason for the
change.
• To register, change or delete rights groups, log in by a user ID with [System Administration] selected.
• When [System Administrator] or [Permit User Administration] is selected, do not assign operation rights
by rights groups, but set them directly in the [Add User] sub-window or the [Edit User] sub-window.
1 Double-click the [User Administration] folder icon in the [Administration Tools] sub-
window of the [LabSolutions Main] window.
3 Click [Add].
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3
1 Double-click the name of the user group to change in the [User Group Administration]
sub-window, or select the user group and click [Edit].
1.2.5 Projects
In the software, data files (raw data and data acquisition results) and meta files (data acquisition, data
processing conditions, etc.) used for obtaining those data files are managed in units called "projects."
Making projects for a series of tasks, such as data acquisition, data analysis, and report printing, enables
data to be administered appropriately for each test item.
The following resources and settings can be held independently for each individual project.
1
Resource/Setting Contents
Instruments Registering analytical instruments that can be used in projects in advance prevents
erroneous data acquisition using invalidated analytical instruments or instruments in
configurations that are incompatible with the analysis target.
Users Users that can participate in each project can be restricted.
^ Reference
The same sub-window as the [Set the Analysis Printer] sub-window used for
making settings for the entire system (see "1.2.7 Analysis Printer" is displayed so
that individual settings for projects can be made.
Security Policy System security policies can be partially set to individual projects.
Policy settings for individual projects can also be prohibited by security policies on
the system.
Data Proc Settings Rounding of number values and the number of display digits handled on LabSolutions
can be set.
^ Reference
The same sub-window as the [Data Proc Settings] sub-window used for making
settings for the entire system (refer to "1.2.8 Numerical Rounding and Number of
Displayed Digits" P.32) is displayed so that individual settings for projects can be
made.
This section describes the procedures for creating new projects and changing the settings of existing
projects.
New Projects
2 Click [Add].
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4 1
^ Reference
For details on how to set to the ER/ES mode, refer to the "Installation & Maintenance Guide."
^ Reference
• In the [Project of System Policies] sub-window, some of the items described at "Set System
Policies" and "Set Instrument Policies" in "1.2.1 Set System Administration Policy (Security
Policy)" can be set.
• In the [Project Settings] sub-window, the items described at "1.2.7 Set the Analysis Printer" and
"1.2.8 Set Numerical Rounding and Number of Displayed Digits" can be set.
When [Prohibit setup policy in a project] is selected in the security policies for the entire LabSolutions
system, [Security Policy] in this sub-window is disabled.
This setting is not possible when [Prohibit setup rights in a project] is selected in the security policies
for the entire LabSolutions system.
5 Set the analytical instrument to be used in the project, and click [Next].
1
2
1 Select this checkbox when registering all analytical instruments to the project.
2 Either double-click the analytical instruments to be used in the project one at a time at [Instrument
List], or select multiple instruments with the [Ctrl] key on the keyboard held down and then click
[Add].
The selected instruments move to the [Selected Instruments] list.
Likewise, to return instruments from the [Selected Instruments] list to [Instrument List], either double-
click the instrument in the [Selected Instruments] list or select the instrument and click [Remove].
Project Settings
2 Click [Edit].
1 to 3
1 The sample amount (Sample information 01), ISTD amount (Sample information 02) and dilution
factor (Sample information 03) set in the Batch Table or the [Realtime Analysis] sub-window are
registered to the sample information (1 to 3), respectively, of the [Data Manager] sub-window.
Set titles for each that easily indicate their content (e.g. "Spl.Wt", "Is.Wt" and "D.Fact").
2 When option items (1 to 10) are set to the Batch Table as the sample information (4 to 13) of the
[Data Manager] sub-window, their respective content is registered.
Set the same text string as the title of option items to set to the Batch Table.
Titles of option items to set to the Batch Table are not automatically reflected in these items.
^ Reference
The titles of option items on the Batch Table side can be set and organized table styles can be
registered as a master file which can be used as a template when making Batch Tables.
• For details on how to set the titles of option items in Batch Tables, refer to Help.
• For details on how to display option items (Table Style) in Batch Tables, refer to "4.2.3 Batch Table
Parameter" in the "Operators Guide.”
• For details on how to register to settings to a master file for use as a template, see "2.3.4 Register
As a Master File."
3 Sample Information 14 used for manual integration result of a data file is registered to the sample
information 14 of the [Data Manager] sub-window.
1
Set titles for each that easily indicate their content.
4 The instrument method ID (Sample Information 15), data processing method ID (Sample Information
16), and calibration curve information ID (Sample Information 17) used for data acquisition or
postrun analysis of a data file are registered to the sample information (15 to 17) of the [Data
Manager] sub-window.
Set titles for each that easily indicate their content.
5 The tray No. (Sample information 18), vial No. (Sample information 19) and level No. (Sample
information 20) set in the Batch Table or the [Realtime Analysis] sub-window are registered to the
sample information (18 to 20), respectively, of the [Data Manager] sub-window.
Set titles for each that easily indicate their content (e.g. "Tray#", "Vial#" and "Level#").
^ Reference
On the [Others] tab page, set the title of keywords when registering files other than data files to the
database. For details, refer to Help.
1 Double-click the
[LabSolutions Main] window.
(System Settings) icon in the [Administration] sub-window in the
The [Select Printer] sub-window is displayed, and analysis printers are displayed in the [Printer Name]
list.
• The [Synchronize the printer definition with system settings] checkbox is added to the [Printer
Definition (for Project)] sub-window displayed as part of the project settings. When this checkbox
is selected, settings made here (for the entire system) are enabled on the project.
• To change a printer for printing data acquisition results for each individual user, select the [Allow
change of printer by user] checkbox.
4 Select the printer to be used for analysis from the [Printer Name] list, and click [OK].
5 Check the settings in the [Select Printer] sub-window, and click [OK].
Since system settings are changed in this sub-window, log in with a user ID having [Change System
Settings] rights.
3 Select the rounding method and number of displayed digits for specific calculation
results, and click [OK].
In this example, the [Area Ratio] display format is set to 3 digits past the decimal point (i.e. the 4th digit
past the decimal point is rounded down).
1 2
If [Default] or [Exponential] is selected as the [Display Type], enter the number of decimal places in
the [Decimal Digits] column, and if [Significant Digits] is selected, enter the number of digits in the
[Significant Digits] column.
^ Reference
Refer to "2.2.9 Create Report Set" P.66.
3 Set the contents and printing details of report sets and then click [OK].
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No. Description
1 Set reports to add to a report set. Selecting the checkbox for each report adds the selected reports to the report
set in descending order from the top row of the table.
Click the button in the format column to specify a format for each report.
When link is set, child files are interlocked with the parent file for the signature function and other functions.
5 When this checkbox is selected, specifies a report set filename with automatically for creating report sets.
Names are generated from the items indicated in [Selected Items] joined
together with an "_" (underbar) symbol inserted between each item.
When this checkbox is not selected, specifies a report set filename with the user name for creating report sets.
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2 1
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No. Description
1 Select the printer to use during the creation of a report set from the list.
2 Set this item to reduce the size of original reports included in a report set.
When the size of an original file is reduced, each report is automatically placed in the center of the
paper.
3 Set the header/footer positions.
Specify the upper end of the header, lower end of the footer, and their horizontal positions by the
distance from the edge of the paper.
Since the header and footer are written regardless of the position of the report set contents, they may be
overlaid on the content texts. To avoid this, adjust the reduction ratio or the position of the header and footer.
No. Description
1 Set the text string to display in the header and footer.
Text in [Left] is printed left-aligned, text in [Center] is printed in the center of the paper, and text in
[Right] is printed right-aligned.
2 These items can be printed on the header and footer. Select an item listed under [Macro] and click
[Insert] or double-click an item to insert the command for printing the item at the cursor position.
^ Reference
Refer to "2.3.9 Check a Report" P.80.
1 Double-click the
[LabSolutions Main] window.
(System Settings) icon in the [Administration] sub-window in the
1 Click [Add].
New check result items are added to the check result table.
2 Set the text string to display for the check result.
(Ex: " Accepted ," " Rejected (Integration)")
This item is displayed in the check result combo box for the [Confirmation Form] report item.
3 Select the checkbox in the [Accept] column to display "Accepted" for the check result of sample
information after checking and saving the report in the [Data Manager] sub-window.
To display "Rejected," clear the checkbox.
4 Select the checkbox in the [Require Reason] column to prompt the entry of a reason when setting
and saving a check result.
The order of items displayed in the [[Confirmation Results] combo box in the check form is the same
as the order of the rows in this table.
• For security reasons, passwords are displayed as “*” on screen to make them unreadable to other people.
• Enter a password that is the [Minimum Length] or longer. The [Minimum Length] is set on the [Account]
tab of the [Security Policy Settings] sub-window.
The [Data Acquisition] window is minimized and an icon is displayed on the taskbar.
2 Click the [Realtime Analysis] icon on the taskbar to open the application.
3 Enter the [User ID] and [Password] for the user that locked the screen, and click [OK].
Only the user who locks the window can release the lock.
To release a lockout, login with a user ID having [Permit User Administration] rights.
1 Double-click the [User Administration] folder icon in the [Administration Tools] sub-
window of the [LabSolutions Main] window.
The selected locked out user is released, and can now re-enter the software.
4 Click [Close].
• To release multiple locked out users, select the users, either with the [Ctrl] key held down or by
selecting continuous users by dragging the mouse, and then click [Release].
• To release locked out PCs, click the (Release PC Lockout) icon in the [Administration Tools/
User Administration] window, and perform the same operation.
Unlocked PCs can be used again by logging into the software from that PC.
To perform a force logout, log in by a user ID having the [Perform Forced Logout] rights.
1 Double-click the [User Administration] folder icon in the [Administration Tools] sub-
window of the [LabSolutions Main] window.
• To forcibly log out multiple users, select the users, either with the [Ctrl] key held down or by
selecting continuous multiple users by dragging the mouse, and then click [Logout].
• Files that are being edited at the time of a force logout are discarded.
1
displayed.
Check the history information of system administration to verify that preset security policies and user
administration status are operating appropriately.
1 Double-click the (Log Browser) icon in the [Administration Tools] sub-window of the
[LabSolutions Main] window.
2 Set the filtering conditions in the [Filtering Condition] section, and click [Start].
The following describes an example of how to display a history of changes made to the system by “User
Name SHIMADZU” within the past month.
1 2 3 4
If user name text strings exist from a previous filter operation, the history is displayed with user
names that match the entered text strings.
2 Select [Specified Period].
3 Click [One month].
4 Select [System Administration] from the [Log Type] list at the top of the [Log Browser] sub-window.
[System Administration], [Application] and [User Authentication] are selectable from the [Log
Type] list.
For example, when [Audit Trail] is selected from the [Event Type] list in the filtering conditions for
a specific [Application Name], the audit trail log of data files or method files, can be viewed in
[Log Browser].
A log matching the set filtering conditions is displayed.
^ Reference
For details on other filtering conditions, refer to Help.
Other Operations
• To print out the displayed log, click [Print] - [Log] on the [File] menu. To save the log in csv or txt format,
click [Save as File] on the [File] menu.
• Click [Print] to print a displayed log. Click [Save As] to save a displayed log to a CSV or text
format file.
• To print out logs, Adobe Acrobat Reader needs to be installed in advance. 1
If Adobe Acrobat Reader has not been installed on the PC used, install it using the
LabSolutions installation disc.
• Notes about events or users that are not automatically recorded by the system can be registered
manually.
Use the following procedure to manually enter logs entries.
Log in with a user ID having the [Register Manual Log] rights to manually register log entries.
• Click [Save as Print Format] on the [File] menu to open the [Save as Print Format] sub-window where
you can name and save column items to display and print settings as a printing format. A standard log
report can be output by loading the saved format. For details, refer to Help.
1 Click (Toggle Output Window) on the toolbar in the [Data Acquisition] window.
The [Output Window] automatically opens when an error occurs during data acquisition (single run
or realtime batch).
2 Right-click on the [Output Window], and click [Refresh] in the displayed menu.
Only logs from the current software session are displayed in the [Output Window]. To view previous
histories, use the [Log Browser]
• Method files
2
• Data files
• Report format files 2
• Batch files
2
• UV spectrum files
• Other files
2
2.1.1 Method Files
Method files store information such as instrument parameters and data processing parameters.
The file extension of method files is ".lcm" for the LC, and is ".gcm" for the GC.
2
Method files store the following information.
Batch file
(original) at data acquisition System check information
• Edited data processing parameters are saved in the data file during postrun analysis. Click the
(Apply to Method) icon on the [Data Analysis] assistant bar to save the edited data processing parameters
as a method file for use in another data acquisition.
Refer to the Operators Guide or Help for more details.
• The report formats are also saved to the data file. Click [Data Report] on the [File] menu, then select
[Print] to print the acquisition results of the currently loaded data file according to the report format stored
with that data.
The report format can be edited by clicking the [Data Report] icon in the [Data Analysis] assistant bar to
display the [Report] window. Click [Save Report Format File As] on the [File] menu to save the edited
format for use with other data reports.
^ Reference
Refer to the Operators Guide or Help for details on the report format files.
^ Reference
Refer to the Operators Guide or Help for details on how to set batch files.
2
2.1.5 UV Spectrum Files
The software uses the JCAMP format with the file extension of “.jcm” for the UV spectrum file.
When peak identification using the similarity of UV spectra is performed, jcm files are included in the
Compound Table as standard spectrum. The “.jcm” files can also be registered as spectra to the UV library
files.
Data Sets
A "data set" is a set of information that combines multiple data files obtained by processing (data
acquisition or data analysis) data set to a Batch Table.
The [Data Manager] sub-window searches data files by individual data sets.
Result Files
"Result files" are files such as data acquisition result report files generated when data is acquired or
analyzed, and files such as summary reports that are generated when batch processing is performed.
When there are result files relating to data files or batch files, the result files are displayed in [Result File
View] of the [Data Manager] sub-window.
2
3 Double-click the (DataManager) icon in the [Postrun] sub-window in the
[LabSolutions Main] window.
The [DataManager] sub-window is displayed, and data sets and various other files contained in projects
are displayed.
1 2
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7
No. Explanation
1 [Tool Bar]
This displays operation icons for printing and sorting display data and for displaying
chromatograms.
2 [File of type]
This allows you to select file types to display in [Sample Information View] (5) from a list.
[Method], [Batch] and [Report Format] are added to the list when the [Show Method/
Batch/Report Format in DataBase] checkbox on the [Tools] menu is selected.
3 [Project]
Click this icon and select projects from the displayed list of projects.
Only projects in which the operator is participating can be selected. For details on how to
participate in projects refer to "1.2.5 Projects" P.23.
4 [Filtering]
Set the conditions for filtering display files. Set data file filtering conditions on the tab pages
displayed by selecting the [Batch data set] tab or [Filtering] tab.
When these tab pages are not displayed, double-click the visible part of the tab to
display them.
5 [Sample Information View]
Displays sample information relating to files, such as the acquisition date, operator name,
distinction between original data and postrun analysis data, signature information, etc. of
filtered data files.
6 [Data Information View]
Displays the content of data such as the detected peak information of data files selected at
[Sample Information View] (5)in table format.
7 [Result File View]
Displays result files relating to data files or batch files selected at [Sample Information View]
(5). The file name of PDF files targeted for signing is appended with "*".
8 Clicking [Result File display/hide] displays or hide [Result File View](7).
9 [Data Set View]
Displays a list of filtered data sets when the [Batch] data set tab is selected at [Filtering] (4).
Displays the sample information (i.e. data) contained in a particular data set in [Sample
Information View] (5) after the data set displayed here is selected.
• When a particular user has started up the [DataManager] sub-window for the first time, the [Project] sub-
window is displayed, and by default up to 100 items of sample information (i.e. data) registered by that
user to the [DataManager] sub-window are filtered and displayed.
• Filtering conditions are stored to memory for each individual user. So, when the [DataManager] sub-
window is next started up, data sets or sample information are filtered and displayed in accordance with
the filtering conditions that were last set.
• The [DataManager] sub-window does not display the sample information (i.e. data) of files currently being
used for data acquisition in [Sample information View]. Also, the files of sample information currently
being analyzed cannot be opened.
When [Filtering View] is not displayed, double-click the tab to display it.
1
2
4
5
6
7
8
No. Explanation
1 Sets the number of sample information items to display in [Sample Information View].
2 Set this when filtering by batch file name.
3 Set this when filtering by user name used for data acquisition or postrun analysis.
4 Set this when filtering by instrument type, for example, LC or GC.
5 Set this when filtering by instrument name (system name) used for data acquisition.
6 Set this when filtering by the No. of a data set.
7 Set the date that the data set was registered to the database.
Select from [Today], [3 days], [One week], [One month] or [From].
8 When this checkbox is selected, only data sets obtained by realtime batch (executed in the [Realtime
Batch] window or registered to batch queue and executed from the [Batch Editor] window) are
displayed.
9 The appearance of sample information (i.e. data) displayed in [Sample Information View] changes as
follows by selecting/deselecting this checkbox when the [Administrate the version of data files] checkbox
is selected in the system policy settings:
• When it is selected, the latest version sample information in the same data files is displayed and
not at the point when it was registered as a data set (batch-processed).
• When it is deselected, the sample information of the data file at the point when it was registered
as a data set is displayed as read-only.
^ Reference
History display mode
The filtered search is started, and the results of filtering are displayed in [Data Set View].
5 In [Data Set View], click the data set to display in [Sample Information View].
Sample information matching the filtering conditions is displayed in [Sample Information View].
When [Filtering View] is not displayed, double-click the tab to display it.
3
4
5
6
7
8
a
b
c
d
No. Explanation
1 Saves the specified filtering conditions. This is useful when repeatedly performing a filtered search using
the same conditions.
Either click [Load], or select saved filtering conditions from the [Filtering Condition] list at the top left of
[Sample Information View] to perform filtering.
For details, refer to Help.
2 Sets the number of sample information items to display in [Sample Information View].
3 Set this when filtering by instrument type, for example, LC or GC.
4 Set this when filtering by instrument name (system name) used for data acquisition.
5 Set this when filtering by data No.
6 Set this when filtering by data file name.
7 Set this when filtering by sample name.
8 Set this when filtering by sample ID.
9 Set this when filtering by signature status.
0 Set this when filtering by user name used for data acquisition.
a Set this when filtering by user name used for postrun analysis.
b Set this when filtering by acquisition date or Modified date.
Select from [Today], [3 days], [One week], [One month] or [From].
c Set this when filtering by data comment.
d Click to filter by more advanced filtering conditions.
^ Reference
When advanced filtering conditions are set, [*Advanced conditions are specified] is displayed at
[Filtering].
For details, refer to Help.
The filtered search is started, and the results of filtering are displayed in [Sample Information View].
2
2.2.4 Change the Data View Mode
This section describes how to change items to be displayed in [Sample Information View] or [Data
Information View] in the [DataManager] sub-window and how to change the view order using the sort
function.
1 Click [Sample Information View] from [File Type] on the [View] menu.
1 2
1 Either double-click the items to be displayed one by one, or select multiple items with the [Ctrl] key
on the keyboard held down and then click [Add].
The selected items move to [Display Items].
Likewise, to return selected items to [Hide Items] from the [Display Items] list, either double-click the
item in the [Display Items] list or select the item and click [Remove].
2 To change the view order of [Display Items], select the item to move and click either [Up] or [Down].
To select multiple items for moving, either click each item with the [Ctrl] key on the keyboard
held down, or click two items with the [Shift] key held down to select continuous items in
between.
3 When the numerical value set for [Number of fixed rows] is changed, the display of items from the
left most edge displayed in sub-windows up to the number of fixed rows that has been set becomes
fixed.
1
2
3
2
1 Select the item to be used as the sort reference from the [Sort by 1] list.
When the title area of the table in [Sample Information View] is clicked, the sort conditions of that
item are toggled between ascending order and descending order, and items are sorted.
2 Click the sort direction.
3 Set other sort items as the sort reference in the same way as required.
• When the [Always applies] checkbox is selected, items are displayed in accordance with the
sort conditions that have been set.
• Sort functions can be used when [Data] is selected at [Files of type].
1 Perform a filtered search, and display sample information having the data file to use for
postrun analysis at [Sample Information View].
2 Click [Open with Related Application] on the menu displayed by right-clicking the row of
that sample information.
The content of the data file is displayed in the [Data Analysis] window.
1 Perform filtering and select the data rows to print from the data files displayed in
[Sample Information View] by dragging them.
• [Data Information] and [Both Information] can be selected when the result data is displayed in
[Data Information View].
• Click [Load Format] to set a print format. To edit a format, click [Print/Settings] on the [File] menu
to open [View Print Settings]. For details, refer to Help.
^ Reference
For details on version management settings, refer to "1.2.1 Set System Administration Policy (Security
Policy)" P.4.
1 Perform a filtered search, and display sample information having the data file whose
version history is to be checked at [Sample Information View].
2
2 Right-click on [Sample Information View] and click [History] on the displayed menu.
History of each data file (all sample information rows from the original file created immediately after data
acquisition to the latest data file created by the final postrun analysis) is displayed in tree format.
The same operation can be performed by selecting the row of the sample information and clicking
(History) on the toolbar.
3 Click [Open with Related Application] on the menu displayed by right-clicking the row of
the sample information on the history whose content is to be checked.
The content of the data file of that version is displayed in the [Data Analysis] window.
• Past versions of files cannot be saved with windows opened even if changes are made.
• If the latest version of a file in sample information is locked, the former version file cannot be
updated to the latest version.
^ Reference
The [Confirm] signature is one of the default signatures prepared in the signature policy.
With the default signature policy, the signature status of the sample information (i.e. request status of the
[Confirm] signature) must be "Unconfirmed" (blank on DataManager display) to sign in by [Confirm].
When changing signature settings, refer to "1.2.1 Set System Administration Policy (Security Policy)" P.4
1 Perform a filtered search, and display sample information to be signed by the [Confirm]
signature (i.e. having the signature status [Unconfirmed] at [Sample Information View].
2 Select a row of sample information to sign, right-click on it, and click [Signature] on the
displayed menu.
• The same operation can be performed by selecting the row of the sample information and clicking
(Signature) on the toolbar.
• You cannot sign when the subject file is being used on other occasions.
3 Check the contents of the data on the PDF file, select the reason to sign, and enter a
comment.
In this stage, [Confirm] for received signature set by default and [Cancel] for unreceived signature are
displayed in a list for the current signature status "Unconfirmed." Select [(ACPT)Confirm].
4 7 5 6
No. Description
1 When [Sign PDF File] in signature policy is selected, a print image is displayed in the analysis result
report PDF format in the [Confirm Sign Information] sub-window.
• The signature is added to the PDF file with an [*] (asterisk) that is displayed on the result file.
• When adding the signature to a file other than data files, the [Confirm Sign Information] sub-
window is not displayed.
2 Information of the file selected in [Sample Information View] is displayed.
Information corresponding to the data file of the selected row is displayed in the [Confirm Sign
Information?] sub-window.
3 Clicking this button withdraws the current signature for all the files displayed in the list of selected files.
[Unsign] of signatures can be executed only by the user that signed the file (i.e. the signer).
4 When this is selected, the file will not be signed.
5 A list of reasons for signature set in the signature policies that can be executed on the signature
status (i.e. request status) currently set to the row of the current sample information is displayed.
6 When the [Require comment when signing] checkbox in the signature policies is selected, enter a
comment here as a supplementary explanation as to the reason for the signature.
7 Click this to sign for the reason set for each row shown in 2.
When [Sign PDF File] is selected concerning signing data files, signature information is written to
PDF files.
4 Check all the data files in the list of selected files and click [OK].
^ Reference
For setting contents and printing details of report sets, see "1.2.9 Set the Contents and Printing Details of a
Report Set" on page 41.
1 Perform a filtered search and drag data rows necessary for the report set from among
the data files displayed in [Sample Information View] to select them.
2 Right-click the mouse and then click [Create Report Set] on the displayed menu.
Report files are automatically collected, a report set is created, and the [Create Report Set] sub-window is
displayed.
• If [Print] is selected, the report set is printed out when you click [Save].
• Double-click the header of the row in [Sample Information View] or click [Open with Related Application]
on the displayed right-click menu to check the created report set PDF file.
2 Click [Add].
2
2 Click the [Export Table Information] tab.
3 Set the content to export and its format, and click [OK].
1 Set the export destination file name for the table information.
2 Select the output information.
3 Select whether to output items displayed in each view or all items.
• To set the program to automatically load the exported program to, set [Command Line]. For
details on how to set this, refer to Help.
• Files can be output only when the export destination file name for the table information is set.
1 Perform a filtered search, and display sample information having the data file to be
exported at [Sample Information View].
2 Select the date file, and click [Export Table Information] on the [File] menu.
The table information is exported. When [Command Line] is set, the preset program
starts up with the exported data loaded to it.
1 Perform a filtered search, and display sample information (i.e. data) to register to the
result file at [Sample Information View].
2 Click the row of that sample information to open [Result File View].
• To move or copy a file, log in by a user ID having the [Perform File Operation] rights.
• Files cannot be moved or copied when the [Restrict operation of data files] checkbox is selected in the
security policies (i.e on the [System] tab page of the [Security Policy Settings] sub-window).
• Files cannot be moved or copied between projects having different security policy settings.
• [DataManager] has a function for directly referencing the content of backup databases. Files, however,
cannot be moved to backup databases since backups are read-only.
• Result files cannot be moved or copied individually between projects. Export result files, and import them
to [Result File View] of other projects.
1 Perform a filtered search, and display the data set to move in [Data Set View].
2 Click [Move] on the menu displayed by right-clicking the row of the target data set.
2
• The same operation can be performed by selecting the row of the data set and clicking
(Move) on the toolbar.
The selected data set disappears from [Data Set View] and moves to the move destination project.
1 Perform a filtered search, and display the data set to delete in [Data Set View].
2 Click [Delete] on the menu displayed by right-clicking the row of the target data set.
• The same operation can be performed by selecting the row of the data set and clicking
(Delete) on the toolbar.
The selected data set is deleted from [Data Set View] and disappears from the list.
1 Perform a filtered search, and display the sample information to change at [Sample
Information View].
2 Double-click the cell of the items to change, and edit the cell content after the cursor
moves to inside the cell.
3 Set the content to export and its format, and click [OK].
1 2 3
1 Perform a filtered search, and display sample information (i.e. data) having the result file
of the extension set with a relation at [Sample Information View].
2 Click the row of that sample information to open [Result File View].
• The e-mail delivery function cannot be used when the [Disable E-mail] checkbox is selected in the
security policies (i.e on the [System] tab page (P.5) of the [Security Policy Settings] sub-window).
• To use the e-mail delivery function, set up e-mail delivery at [Event Settings] on the [Tools] menu.
1 Perform a filtered search, and display the sample information (i.e. data) to be sent by e-
mail delivery at [Sample Information View].
2
2 Click the row of that sample information, and click (Send E-Mail) on the toolbar.
1 2
^ Reference
For a detailed explanation of how to use the CDF viewer, refer to Help.
1 Select the data containing the CDF file as the result file at [Sample Information View].
1 Select the data containing the PDF file as the result file at [Sample Information View].
^ Reference
• For the procedure to create a report format and data report, refer to the Operators Guide.
• For setting report check results, see "1.2.10 Configure Settings for Report Check Results" P.38.
Only PDF files for signing with an [*] are applicable from among PDF result files.
1 Perform a filtered search and click sample information of data to check report for from
among the data files displayed in [Sample Information View].
3 Select the check result, enter the reason, and click [Save].
The PDF file is saved and [Confirm Result] of sample information is updated.
• When selecting a check result for which [Reason] is selected in report check setting, a reason needs to be
entered to enable the [Save] button.
• When you have selected multiple files and executed [Confirm Result File], click [Save] or [Close] to
display the next file.
To hide the [Data Explorer] sub-window, click the (Toggle Data Explorer) icon on the toolbar again.
No. Explanation
1 Switches display of data files, method files, batch files or report format files in the database.
The extension tab page can be added to display only specific file types.
No. Explanation
2 [Filtering View]
Set the conditions for filtering display files. Set data file filtering conditions on the tab pages
displayed by selecting the [Batch] data set tab page or [Filtering] tab page, or set filtering
conditions for other files on the tab page displayed by selecting the [Filtering] tab page.
When these tab pages are not displayed, double-click the visible part of the tab to
display them.
3 [Data Set View]
Displays a list of filtered data sets when the [Batch] data set tab is selected at [Filtering] (2)
on the [Data] tab page.
Displays the data file contained in a particular data set in [File View] (4) after the data set
2
displayed here is selected.
4 [File View]
Displays the list of files as a result of the filtered search.
5 Displays a preview of the file information of the selected file.
It sometimes takes time to display file information depending on the number of files in the data file.
1 Click the [Data] tab at the top of the [Data Explorer] sub-window.
1
2
4
5
6
7
8
9
No. Explanation
1 Set the number of sample information to display in [File View].
2 Set this when filtering by batch file name.
3 Set this when filtering by user name used for data acquisition or postrun analysis.
4 Set this when filtering by instrument type, for example, LC or GC.
5 Set this when filtering by instrument name (system name) used for data acquisition.
6 Set this when filtering by data set No.
7 Set the date that the data set was registered to the database.
Select from [Today], [3 days], [One week], [One month] or [From].
8 When this checkbox is selected, only data sets obtained by realtime batch (executed in the [Realtime
Batch] window or registered to batch queue and executed from the [Batch Editor] window) are displayed.
9 The appearance of data files displayed in [File View] on the [Data] tab page changes as follows by
selecting/deselecting this checkbox when the [Administrate the version of data files] checkbox is
selected in the system policy settings:
• When it is selected, the latest version sample information in the same data files is displayed and
not at the point when it was registered as a data set.
• When it is deselected, the data file at the point when it was registered as a data set is displayed
as read-only.
The filtered search is started, and the results of filtering are displayed in the data set list.
5 In the data set list, click the data set to display at [File View].
1 Click the [Data] tab at the top of the [Data Explorer] sub-window.
2
3
4
5
6
7
8
9
0
a
b
c
d
No. Explanation
1 Saves the specified filtering conditions. This is useful when repeatedly performing a filtered
search using the same conditions.
Either click [Load], or select saved filtering conditions from the [Filtering] list at the top of [File
View] for performing filtering.
For details, refer to Help.
2 Set the number of sample information to display in [File View].
3 Set this when filtering by instrument type, for example, LC or GC.
4 Set this when filtering by instrument name (system name) used for data acquisition.
5 Set this when filtering by data No.
6 Set this when filtering by data file name.
7 Set this when filtering by sample name.
8 Set this when filtering by sample ID.
9 Set this when filtering by signature status.
0 Set this when filtering by user name used for data acquisition.
a Set this when filtering by user name used for postrun analysis.
b Set this when filtering by acquisition date or analysis date.
Select from [Today], [3 days], [One week], [One month] or [From].
c Set this when filtering by data comment.
d Click to filter by more advanced filtering conditions.
^ Reference
When advanced filtering conditions are set, [*Advanced conditions are specified] is
displayed at [Filtering View].For details, refer to Help.
3 Set the filtering conditions for the method file to be set with the keyword.
5 Right-click the method file in [File View] and click [Edit Keywords] on the displayed
menu.
The entered information is registered as a keyword of the method file and can be checked in [File View].
• To edit the keyword, log in by a user ID having the [Edit Sample Information] rights.
• Sample information, numeric data, and keyword titles can be changed. Refer to "1.2.6 Define
Table Items in the Database" P.29 for detailes.
• Selection items of [Keyword 01] to [Keyword 20] can be set. Refer to Help for detailes.
^ Reference
For details on the relationship between option items in Batch Tables and table definitions in the database, 2
see "1.2.6 Define Table Items in the Database."
Register Files
Register method files, batch files or report format files that have been created to the database as a file.
1 Perform a filtered search in the [Data Explorer] sub-window, and display the method file
to register as a file in [File View].
2 Click [Register to database] on the menu displayed by right-clicking the filtered file in
[File View].
3 Enter the information of the method file to register, and click [OK].
• To register a master file, log in by a user ID having the [Export Files] rights.
• Only method files, batch files and report format files can be registered as master files.
1 Click [Get the file from database] on the menu displayed by right-clicking on the [Data
Explorer] sub-window.
The selected file is copied, and is added to [File View] currently displayed in the [Data Explorer] sub-
window.
The overwrite confirmation sub-window appears if a file of the same name already exists.
The tab page of the file to import must be displayed to perform work.
2 Click [Import File] on the menu displayed by right-clicking on the [File View] area in the
[Data Explorer] sub-window.
3 Click [Add].
To acquire a file from other instruments, log in by a user ID having the [Perform File Operation] rights.
1 Click [Get the file from Other Instrument] on the menu displayed by right-clicking on the
[File View] area in the [Data Explorer] sub-window for the instrument currently in use.
1 Select the file to export on the [File View] area in the [Data Explorer] sub-window, and
click [Export File] on the menu displayed by right-clicking on the selected status.
Multiple files can be exported.
2 Click [Browse].
• To back up or restore data, log in by a user ID having the [System Administration] rights.
• The back up object is only the analysis log and a data file.
• It is not possible to back up directory to the CD/DVD drive. 2
• Back up and restore the information of instrument, user and security policy etc, use storage management
software, such as ARCserver.
2 Enter [User ID] and [Password] of a user having the [System Administration] rights, and
click [OK].
When [Log] is clicked, application logs (e.g. instrument logs, data file operation logs, signature logs,
audit trail logs) and system administration logs (logs that record addition of projects and users, and
changes to rights settings) can be backed up.
2 In the [Project Name] list, select the checkbox of the project to back up.
3 If necessary, enter [Reason for Backup].
^ Reference
The reason for a backup must be entered when LabSolutions is set to the electronic recording/
electronic signatures (ER/ES) compatible mode. For details on how to set to the ER/ES mode, refer
to the "Installation & Maintenance Guide."
1
2
• When the [Divide the backup folder] checkbox is selected, the backup data is divided in the folder
by the size set at [Disk Space per a Folder].
• When a backup is made with folders divided and media other than removable media specified at
the backup destination, a sub-folder is created in the backup destination folder. A backup file of
size specified by [Disk Space per a Folder] will be saved as the sub-folder at this time, and the
folder name will be [Project Name]+[Date]+[continuous number].
3
4
Set the data backup period.
If necessary, set a password to the backup database.
2
^ Reference
A password must be set when LabSolutions is set to the electronic recording/electronic
signatures (ER/ES) compatible mode. For details on how to set to the ER/ES mode, refer to the
"Installation & Maintenance Guide."
5 To delete data on a database after a backup, select the [Delete source data after backup] checkbox.
7 Set the number of copies and temporary folder on the removable media, and click
[Next].
When a removable media drive is not specified as the backup destination, this sub-window will not
be displayed and screen display will move to the confirmation sub-window.
This completes setting up of the backup. The backup is started according to the backup conditions set
above.
During the backup, the following confirmation message is displayed.
When the [Print backup information after backup] checkbox is selected, a list of set conditions, backup
media information and other parameters will be printed out after the backup ends.
• Backing up of subtraction data compared with the previous backup is not possible.
• When the database is backed up to multiple media, the data sets sometimes are separated into
multiple media. If this happens, the link between the data sets and the link of each file is broken.
• If the latest date of a version-administrated file is within the period, files on the history (old version
files) of that file are all backed up even when these files are not within the period.
• When a password is set to the database, enter the password and click [OK].
• To reference a backup database, log in by a user ID having the [Read Backuped Files] rights.
• Though operations such as filtered searching of data, retrieval of files and printing of files can be
performed on a referenced backup database, operations that result in changes to the database
such as moving and deletion of data, registration of files and signatures cannot be performed.
2 Enter [User ID] and [Password] of a user having the [System Administration] rights, and
click [OK].
5 Select the project to restore (i.e. MDB format database), and click [Next].
At [Source], set the path for the drive or folder specified when the backup was made.
2
2
3
1 At [Source], set the path for the drive or folder specified when the backup was made.
2 The information of the backup file can be checked here.
3 In the [Source MDB File] list, select the checkbox of the MDB file names to restore.
^ Reference
The reason for a restore must be entered when LabSolutions is set to the electronic recording/
electronic signatures (ER/ES) compatible mode. For details on how to set to the ER/ES mode, refer
to the "Installation & Maintenance Guide."
• Only project databases can be restored. The log database directly references MDB format log
database files in [Log Browser].
• A restore from multiple media is possible only when a backup has been made to multiple media.
• When a restore is cancelled midway, version-administrated files are stored to the database only
when all versions have been completely restored. If the restore is incomplete, (old version) files
on the history registered midway are deleted.
The software can create an “audit trail log” of changes made to data acquisition or data analysis
parameters. This chapter describes the procedure for setting the audit trail and checking the histories.
3
3
Refer to the separate volume for devices other than LC/GC.
1 Click [Method File Properties] on the [File] menu in the [Data Acquisition] window. 3
3
3
3
3
3
3
3
3
3
3
System Users Guide 105
3 Audit Trail Function
2 Click the [Audit Trail] tab, set each item, and click [OK].
1
2
1 Select the [Apply to the data file acquired with this method file.] item. Once an audit trail is attached
to a data file, it can never be canceled.
2 Select [Input reason when saving file.] to require a comment (e.g. reason for the change) be entered
each time that a change is saved.
Select [Do not prompt for reason.] to create a log that contains only the date of the change, and the
name of user who made the change.
The audit trail settings cannot be made to “Untitled” files. First save the new file, then change these
settings.
Although the above describes an example of how data is acquired from a single run, the result is the
same when a data file is obtained in the [Realtime Batch] window using the method described
above.
^ Reference
• If the [Apply audit trail function when creating method file] item is selected in the security policy settings,
the audit trail is automatically enabled when a new method file is created. Once the audit trail function is
activated in the security policy it is activated for all (new and existing) method files and it cannot be
canceled.
For more details about setting security policies, refer to "1.2.1 Set System Administration Policy (Security
Policy)" "Instrument Policies" P.11.
• For details on checking the audit trail log in data files, refer to "3.3.4 Audit Trail Log" P.116.
• For details on data files, refer to "2.1 File Formats" P.49.
1 Click [System Configuration Audit Trail Settings] on the [Tools] menu in the [Data
Acquisition] window.
Use the same procedure to set the system configuration audit trail in the [Realtime Batch] window.
1
2
Once an audit trail log is created for a file, it cannot be canceled. This feature assures the integrity of
the history logs.
^ Reference
• If the [Apply audit trail function for system configuration] item is selected in the security policy settings, the
system configuration audit trail log is automatically activated.
For more details about setting security policies, refer to "1.2.1 Set System Administration Policy (Security
Policy)" "Instrument Policies" P.11.
• For details on checking the audit trail log in the system configuration information, refer to "3.4.1 Audit Trail
Log in System Configuration Information" P.121.
• For details on system configuration files, refer to "2.1 File Formats" P.49.
3.1.3 Audit Trail Log in Method Files, Batch Files and Report Format
Files
This section describes the setup for attaching an audit trail log to method files in the [Data Acquisition]
window.
The following items must be selected to enable the security policy settings for making new files.
File Item
Method File Apply audit trail function when creating method file.
Batch File Apply audit trail function when creating batch file.
Report Format File Apply audit trail function when creating report format file.
^ Reference
• For more details about setting security policies, refer to "1.2.1 Set System Administration Policy (Security
Policy)" "Instrument Policies" P.11.
• For details on checking the audit trail log in metadata files, refer to "3.4.2 Audit Trail Log in Method Files,
Batch Files and Report Format Files" P.122.
• For details on each of the metadata files (method, batch and report format files), refer to "2.1 File
Formats" P.49.
1 Click [Method File Properties] on the [File] menu in the [Data Acquisition] window.
2 Click the [Audit Trail] tab, set each item, and click [OK].
1
2
3
1 Select [Save change history in the file.].
2 Select [Input reason when saving file.] to require a comment (e.g. reason for the change) be entered
each time that a change is saved.
Select [Do not prompt for reason.] to create a log that contains only the date of the change, and the
name of user who made the change.
When the method file parameters are changed, a history of changes are saved in the method file as an
audit trail log.
In the same manner, the history of changes made to the instrument parameters and data processing
parameters are also saved to their respective files.
• Once an audit trail log is attached to a file, it cannot be canceled. This feature assures the
integrity of the history logs.
• The audit trail settings cannot be made to “Untitled” files. First save the new file, then change
these settings.
1 Drag-and-drop a method file that requires entry of a reason for the change into the [Data
Acquisition] window from the [Data Explorer] sub-window.
2 Change a few of the instrument parameters, and click (Save) on the toolbar.
To enter the same reason for the change to all of the items in the list, enter the first reason and
click [Apply to all].
The new parameters are saved, and the audit trail log including the reasons for changes is recorded
in the method file.
^ Reference
For details on editing instrument parameters, refer to the Operators Guide.
3
Data files are in an All-In-One structure that allows various information to be saved.
Window Menu
Data Analysis [File] - [Data File Properties]
Calibration Curve [Data] - [Data File Properties]
Quant Browser [Data] - [Data File Properties]
Data Browser [File] - [Data File Properties]
Data Comparison Each of the data files at [File] - [Data File Properties]
This section describes the procedure for checking the properties of data files from the [Data Analysis]
window.
1 Click [Data File Properties] on the [File] menu in the [Data Analysis] window.
The content of the [Sample Info.] tab can be edited. If the [ISTD Amount], [Sample Amount] or [Dilution
Factor] are edited, the data is automatically recalculated and the quantitation results change.
If the audit trail function is enabled, a history of that change is recorded.
The method files, batch files and report format files displayed on the [Used Files] tab can be exported from
the data file and used for data acquisition and analysis.
^ Reference
Refer to the Operators Guide or to "3.3.6 Export Batch Tables" P.120 for details on exporting files.
Other Tabs
Two other tabs may also be displayed, the [Comment] tab for displaying data file comments and the
[Option Info.] tab for displaying optional Batch Table column names.
Instrument Parameters
1 Select [Data Acquisition Settings] on the [Method] menu in the [Data Analysis] window,
and click [Instrument Parameters].
1 Select [Data Acquisition Settings] on the [Method] menu in the [Data Analysis] window,
and click [System Configuration].
[Error Log]
1 Click [Acquisition Log] on the [View] menu in the [Data Analysis] window.
[Operation Log]
1 Click [Acquisition Log] on the [View] menu in the [Data Analysis] window.
^ Reference
When the audit trail log is attached to a method file, a history of changes is maintained in the data file after
data acquisition ends.
For details on enabling the audit trail function for data files, refer to "3.1.1 Audit Trail Log in Data Files" P.105.
1 Click [Audit Trail Log] on the [File] menu in the [Data Analysis] window.
1 Click the a row in the [Version/ Date & Time/User Name] list to display the change history.
The details of the changes are displayed in the [Modified/Contents] list.
2 Click a row in the [Modified/Contents] list to display the reasons for the change.
3 If reasons for the change were entered it is displayed in the [Reasons of the Change] box.
If multiple modifications were made, repeat step 2, to review the reasons for all of the changes.
4 Repeat steps 1 through 3 to review multiple versions.
Click [Print] in the [Audit Trail Log] sub-window to print the logs.
1 Click [Rollback to Original Data] on the [File] menu in the [Data Analysis] window.
A confirmation box opens to prevent operational error. Check the original data against the processed
data without deleting the processed data by selecting [Rollback to Original Data] but do not save the
file.
^ Reference
The data acquisition method file information and the latest data processing method file information
can be exported from the data files and used to perform data acquisition and postrun analysis. Refer
to the Operators Guide for details on exporting method files from data files.
To check report formats in data files, click [Data Report] - [Edit Format] on the [File] menu to display the
[Report (Report in Data File)] sub-window.
Report formats can be exported from data files by clicking [Save Report Format File As] on the [File]
menu in the [Report (Report in Data File)] sub-window.
1 Click [Save Batch in Data File As] on the [Tools] menu in the [Data Analysis] window.
2 Check the modified location, contents and reasons for the change.
1 Click the a row in the [Version/ Date & Time/User Name] list to display the change history.
The details of the changes are displayed in the [Modified/Contents] list.
2 Click a row in the [Modified/Contents] list to display the reasons for the change.
3 If reasons for the change were entered it is displayed in the [Reasons of the Change] box.
If multiple modifications were made, repeat step 2, to review the reasons for all of the changes.
4 Repeat steps 1 through 3 to review multiple versions.
Click [Print] in the [Audit Trail Log] sub-window to print the logs.
3.4.2 Audit Trail Log in Method Files, Batch Files and Report Format
Files
The history of changes stored in the metadata files (method/batch/report format files), can be reviewed in
the [Audit Trail Log] sub-window.
This section describes how to display an audit trail log in method files.
1 Click [Audit Trail Log] on the [File] menu in the [Data Acquisition] window.
2 Check the modified location, contents and reasons for the change.
1 Click the a row in the [Version/ Date & Time/User Name] list to display the change history.
The details of the changes are displayed in the [Modified/Contents] list.
2 Click a row in the [Modified/Contents] list to display the reasons for the change.
3 If reasons for the change were entered it is displayed in the [Reasons of the Change] box.
If multiple modifications were made, repeat step 2, to review the reasons for all of the changes.
4 Repeat steps 1 through 3 to review multiple versions.
Click [Print] in the [Audit Trail Log] sub-window to print the logs.
Execute the system suitability test before the start of data acquisition to verify that the system can be
used stably for a specific data acquisition. The realtime batch can be stopped if the results of the
system suitability check are not adequate. This process allows for the preservation of important 4
samples.
^ Reference
If column performance results such as [Resolution] and [Tailing F.] are used, select the calculation 4
method according to the respective pharmacopoeia.
4
Refer to the Operators Guide for details on selecting the calculation.
4
4
4
4
4
4
4
4
System Users Guide 125
4 System Suitability Test
3 Make the following settings in the [System Suitability Settings] sub-window, and click
[OK].
2
6
3 7
4
5
8
No. Explanation
1 Select this item to execute the system suitability test using the currently displayed method.
2 Enter the destination of the result report.
• When [Select output path] is selected, click the [Select] button on the right to specify the
destination.
• When [Output to data file path] is selected, the result report is saved to the folder that contains
the realtime batch data file.
3 Select either text format or CSV format for the format of the result report.
4 Select whether the HTML result report will be viewed on the monitor or sent to a printer.
The [Average], [Min] and [Max] statistical values are rounded according to the format of the
check values set at 9.
7 Click the [Format] button to open the [Format Settings] sub-window, then enter the rounding
procedure and number of displayed digits of the relative standard deviation.
^ Reference
The [Format Settings] sub-window is common to the [Format Settings] sub-window that
appears in 9. See the description for 9 or refer to Help for more details.
8 Select how the summary data will be output.
9 Enter the check items and check criteria to be executed during the system suitability test.
Use the following procedure to set the check items and check criteria.
2 3 4 5
1 Select the tab for the detector to be used in execution of the system suitability test.
If multiple detectors are used to execute the system suitability test, click the tab for each
detector and set the check items for each detector. 4
2 Click the name of the compound to be checked.
3 Click a cell on the [Parameters] column, and select the check item from the list that is displayed.
4 Enter the following pass/fail criteria for each check item.
• [Lower] - lowest passing value
• [Upper] - highest passing value
• [%RSD] - highest passing relative standard deviation value
• [Format]
Leave the check criteria blank or enter [-] to not set a check criteria.
5 Click a cell on the [Format] column to change the rounding method or the displayed format of
numeric values.
No. Explanation
1 Select [Option Settings] to change the rounding method and the number of displayed digits for the
selected check item.
^ Reference
By default, the calculation results are displayed according to numeric value processing set by
the system.
Refer to "1.2.8 Numerical Rounding and Number of Displayed Digits" P.32 for details on how
the system processes numeric value.
No. Explanation
2 Select the rounding method and the number of displayed digits for the selected check item.
• [Display Type] - [Default], [Exponential], [Significant Digits]
• [Rounding] - [Half Adjust], [Round Up], [Round Down]
• [Decimal Digits] - If [Display Type] is changed to [Significant Digits] this item changes to
[Significant Digits].
^ Reference
The system suitability test settings must be saved to both the method file and batch file to execute the
system suitability test.
Refer to "4.2 Set Test Conditions to Batch Tables" P.128 for details on how to save the system suitability
settings in batch files. Refer to "4.3 Realtime Batch Control Based on Test Results" P.130 for details on how
to control realtime batch by the system suitability check results.
1 Drag-and-drop the batch file onto the [Realtime Batch] window from the [Data Explorer]
sub-window.
^ Reference
Refer to "4.1 Save Test Conditions in Method Files" P.125 for details on saving the system suitability
test to a method file.
^ Reference
The [System Suitability] column is not displayed in the default Batch Table. Right-click on the Batch
Table, and click [Table Style] to display the [Table Style] sub-window. Add the [System Suitability]
column to the Display Items box, and click [OK].
Refer to the Operators Guide for details on the [Table Style] sub-window.
1 Click the [System Suitability] cell in the 1st row where the system suitability test is to be executed,
and select [Start].
[Start] initializes the system suitability test data list and adds the data file from that row of the Batch
Table to the list. 4
2 Click the [System Suitability] cells on the subsequent system suitability rows and select [Run].
[Run] adds the data file for that row of the Batch Table to the list.
3 Click the [System Suitability] cell on the final row of the system suitability test, and select [End].
[End] adds the data file for that row of the Batch Table to the list. The check items of the system
suitability test are calculated and checked for the data in the list, and the result report is output.
• Select [End & Clear] in the [System Suitability] cell to execute the system suitability test for only 1
row.
• System suitability test execution rows do not need to be adjacent on the Batch Table.
^ Reference
Refer to the Operators Guide for details on other items in the Batch Tables.
1 Drag-and-drop the batch file into the [Realtime Batch] window from the [Data Explorer]
sub-window.
2 Click the [Action] cell in the row that contains [End & Clear] or [End] in the system
suitability column.
1 Click the [Test] cell, and select [System Suitability] from the list.
2 Click the [Result] cell, and select [Fail] from the list.
3 Click the [Action] cell, and select [Stop (Wait Next Queue)] from the list.
^ Reference
The [Test] cell allows the choice to base the check on the QA/QC calculation result and the system
check result.
Refer to Help for details about the QA/QC calculation.
Refer to the Operators Guide for details on the system check, and on saving the system check in
batch processing.
[Pass] can also be selected in the [Result] cell. The following actions can also be selected in the
[Action] cell.
Action Item Operation
Pause Pauses batch processing.
Stop (Run Next Queue) Stops the current batch processing, and executes the next batch in the
batch queue.
Stop (Wait Next Queue) Stops the current batch processing, and does not start the next batch in
the batch queue.
Reinject Repeats the processing of that row. The data file name is appended with a
number such as -1 and -2 when reinjection is performed.
Execute User Program Executes the commands specified in parameters.
Goto Processing moves to the specified row.
Restore Method Restores a data processed method file to its original file using the method
saved before batch execution.
Return Returns to the row where Goto was executed.
4
4 Click (Save) on the toolbar.
The settings are saved to batch file.
^ Reference
Refer to the Operators Guide for details on setting other items in Batch Tables.
• If multiple calculation methods were selected on the [Performance] tab, the check result is failed if even
one calculated value does not satisfy the check criteria. For example, if [Resolution] is performed
according to multiple calculation methods (JP method and USP method), the check result is failed if the
USP method passes and the JP method fails.
• Stop realtime batch and shut down the instrument according to the following procedure.
1 Click the [Action] cell, and select [Goto] from the list.
2 Enter the last row No. of the Batch Table at [Parameter].
3 Enter the method file to perform shutdown in the final row of the Batch Table.
This procedure executes the final row of the Batch Table when the check result fails and the instrument is
shut down according to the instrument parameters of the method file in the final row.
This chapter describes how to set instrument information, output reports in PDF format, and program
files check operations.
5
5.1 Set the Instrument Information 5
^ Reference
Refer to the separate volume for devices other than LC/GC. 5
Double-click the [Instrument Administration] icon in the [System Administration] sub-window. In the
displayed sub-window, you can register the acquisition controller and analytical instrument to connect to
the LabSolutions system, and set the connection status of the analytical instrument. 5
This section describes the procedure for administering the acquisition controller and analytical instruments.
• To change instrument registration and instrument information, log in by a user ID having the [Instrument
5
Administration] rights.
• When registering a new instrument or changing instrument information, make sure that the acquisition
controller connected to that instrument is turned ON.
5
5.1.1 Administer PC Information in a Standalone Configuration 5
1 Double-click the (LabSolutions) icon on the Desktop. 5
2 Enter a [User ID] and [Password] for a user having the [Instrument Administration]
rights, and click [OK]. 5
5
5
5
5
5
5
5
System Users Guide 133
5 Appendices
3 Double-click the
sub-window.
(Instrument Administration) icon in the [System Administration]
5 Check the computer name and IP address, edit comments, and click [OK].
1 Select the connection destination PC from [PC List] in the [Instrument Administration]
sub-window.
5
2 Select the 1st row from [Instrument List], and click [Edit].
The following example describes the procedure for displaying the settings of the analytical instrument
connected to the PC as the 1st instrument.
3 Set the instrument name, instrument type and comment, and click [OK].
1
2
1 Enter the instrument name. The instrument name entered here becomes the [Instrument Name] in
the main window, [Analysis] program sub-window display and system information report.
2 Select the type (LC or GC) of the connected instrument from the list.
3 Enter the comment to display in the [Instrument Administration] sub-window.
4 To register the 2nd instrument onwards to the same PC, click [Add].
The [Add Instrument] sub-window is displayed. Register the instrument information by following the
description in step 3.
Disable Instruments
Disable instruments to set them temporarily offline from the system, for example, for inspection or repair.
When an instrument is disabled, the connection status with the PC changes depending on the operation to
perform.
Instruments cannot be deleted or disabled when they have batch files registered to the batch queue or are
being controlled by other users. Disable instruments after the batch files have left the batch queue or other
users have logged out.
1 Select the name of the instrument to disable from [Instrument List] in the [Instrument
Administration] sub-window, and click [Edit].
3 Click [OK].
[Disable] is displayed at the [Disable] field of disabled instruments in [Instrument List].
5
1
2
• This setting is stored for each software user. If another user has logged into the software, that
user must set the output of PDF files to generate the PDF file.
• Output PDF files are saved using the following names.
• (data file name).pdf (example: Demo_Data-001.pdf) - for data acquisition results
• (batch file name)_output date/time.pdf (example: Demo_Batch_20060216124536.PDF) - for
summary reports
1 From the [Data Acquisition] window, click on the [File] menu then select [Print Method
File] and choose [PDF Output].
2 Specify the folder to save the file to, enter the PDF file name, and click [Save].
• The [Print] sub-menu in the [File] - [Print Method File] menu sends a print image file to the destination set
in "5.2.1 Output of PDF Reports".
• The following names are displayed as default names in the [Save As] sub-window.
• (file name).pdf (example: Demo_Data-001.pdf) - for information
• (system exclusive report format name).pdf (example:Data_Comparison_Report.pdf) - for graph
images
To execute [Check the Program Files], log in as a user ID having the [Perform Validation Support] rights.
3 Click [Execute].
1 Click [Check Raw Data] on the [Tools] menu in the [Data Analysis] window.
The raw data check can be executed for multiple data files.
To select multiple data files, either click each file with the [Ctrl] key held down, or click two files
with the [Shift] key held down to select continuous files between the two files.
Click [Print] in the [Information Viewer] sub-window to print the results of the raw data check.
1 Double-click the
Main] window.
in the [System Administration] sub-window in the [LabSolutions
This sub-window opens when the user has [Perform Validation Support] rights.
Using LIMS connecting option settings requires having a separate dedicated license.
To use the application interface service-based LIMS connecting option settings, the application interface
service program included in the LabSolutions Application Interface Kit (LAIK) is installed in the
LabSolutions server, and the application interface service client program is installed in the LAIK client
where the LIMS is installed.
For installation instructions, refer to the installation manual included in the LAIK.
The LAIK installation manual refers to the application interface service program as LabSolutions Integration
Remote Service and the application interface service client program as LabSolutions Integration Remote
Service SDK.
LIMS download
Data acquisition instructions
Data acquisition
schedule
settings
LIMS upload
Data acquisition results
5
The LIMS download function is used to download data acquisition schedules created in the LIMS (text
format batch files) to a LabSolutions database. Downloaded data acquisition schedules (text format batch
files) are registered in a database in the instrument to enable starting data acquisition.
The LIMS upload function is used to output data files and results files (PDF, AIA (Andi), or ASCII files)
stored in Data Manager to specified folders. This allows outputting sample information and other data/
information in TSV format files. It also allows outputting data with the same format as the Agent LIMS
interface.
If the required items are specified on the [LIMS Transmitter Settings] tab page in the [LIMS Connecting
Option Settings] sub-window, the software checks the database at fixed intervals according to those
settings. When it finds a file with the specified transfer status, it creates an upload file from that data and
uploads it to the LIMS.
1 In Windows, click [Start], point to [All Programs]([All App] on the Windows 10) -
[LabSolutions] - [LIMS Connecting Option Setting Tool], and click [LIMS Connecting
Option Settings].
5
3 Specify the [Register Settings] settings.
At [Register], set whether to register downloaded data acquisition schedules (text format batch files)
in [Database] or [Instrument]. Click [Start/Stop] and confirm that the status indicated in the [Start/
Stop] column in [Instrument List] changes to [Start].
4 Click [OK].
If the shared folder is specified on the LIMS server, provide authorization for the user that launched
the software to access the shared folder by changing the settings in the [Control Panel] -
[Administrative Tools] - [Services] - [LSSLimsAssistService] - [Properties] sub-window.
After the settings are specified, LSSLimsAssistService restarts automatically. If the software fails to
restart, start the program manually by clicking [Control Panel] - [Administrative Tools].
4 Click [OK].
This completes LIMS download setting.
• Settings for how LIMS upload data is processed (rounding method and the number of display digits) are
specified in LabSolutions. To change data processing settings for upload data, see 1.2.8 Numerical
Rounding and Number of Displayed Digits.
1 In Windows, click [Start], point to [All Programs]([All App] on the Windows 10) -
[LabSolutions] - [LIMS Connecting Option Setting Tool], and click [LIMS Connecting
Option Settings].
3 On the [Configuration] tab page, specify the necessary settings in the [Transmission
Settings] and [Transmission Triggers] areas.
Specify either [Use FTP] or [Use Shared Folder].
[Use FTP] requires specifying the FTP server in the LIMS computer. In addition, since data must be sent
to subfolders of the root folder in the FTP server, the [Account Name] and [Password] able to access the
subfolders must be specified.
[Use Shared Folder] requires specifying the shared folder in the LIMS computer. When [Use Shared
Folder] is selected, specify settings in accordance with the note below.
If [Use Shared Folder] is selected in upload settings, provide authorization for the user that launched
the software to access the shared folder by changing the settings in the [Control Panel] -
[Administrative Tools] - [Services] - [LSSLimsInterfaceService] - [Properties] sub-window.
After the settings are specified, LSSLimsInterfaceService restarts automatically. If the software fails
to restart, start the program manually by clicking [Control Panel] - [Administrative Tools] - [Services].
5
The upload sequence file is for selecting the files to upload.
Even if [Yes] is indicated in the [Data Transmission] column, data is not uploaded unless an upload
sequence file is specified. A sample sequence file is stored
in the "C:\Program Files\LabSolutions\SendFTP.txt" file for 32-bit Windows or
in the "C:\Program Files (x86)\LabSolutions\SendFTP.txt" file for 64-bit Windows.
5 Specify upload file names on the [File Name(Upload File)] tab page.
When LIMS uploads data, a data upload file is created. This created file is called the upload file. These
upload files are named automatically based on the form prefix + selected item + automatic number.
For example:
[Prefix]:"Prefix"
[Selected Items]:"Acquired by" and "Sample Name"
[Auto-increment Format]:"1, 2, …"
^ Reference
For details about the formatting file names, refer to Help.
• If no settings are specified for [Prefix] and [Selected Items], the upload file name has the form
"Send[auto-increment number].txt."
• If the upload file name exceeds 255 characters, characters other than the automatic number are
truncated from the end.
6 On the [Format(Upload File)] tab page, specify the format and destination for copying
upload files.
• Upload files are tab delimited text files containing respective output settings. If [Data Comment] or
[Comment] sample information settings contain tabs, they are converted to spaces.
• [Output only identified peaks (ID# > 0) in order of their ID#.] is enabled only for chromatogram
data which includes ID numbers.
• Upload files are normally stored in the [Upload File Folder], but if they do not need to be saved,
select [Delete uploaded file(s) after completion of the sequence.].
• The [Uploaded File Folder] can store a maximum of 1000 files. When the count exceeds 1000,
the oldest files are deleted first.
7 On the [Data(Upload File)] tab page, specify the software, sample information, and data
information to upload.
Select the software to upload and then select [Transmit selected software]. Specify the sample
information items and sequence and the data information items and sequence settings.
If [Output column header of sample information as Agent format.] is selected, the sample information
setting is disabled. Given the above settings, it adds [Reg. date], [PC name], and [Instrument name]
headings to the data information.
8 On the [Option(Upload File)] tab page, specify settings for grouping or dividing upload
data, and so on.
This tab page is used to specify optional settings for uploading data, such as processing method.
• If character strings containing a left parenthesis (round bracket) is targeted for [Grouping data
information], then grouping is applied to the character strings preceding the left parenthesis.
• Non-numerical items specified for grouping are output without grouping.
• If a [Target] item specified for grouping is blank, a blank line is output as is.
• If both grouping and dividing data are specified at the same time, data is first grouped, then
divided.
9 Click [OK].
This completes LIMS upload setting.
A H
administration functions .........................................1 history filter .......................................................... 46
all-in-one structure ...............................................50 history information ......................................... 45, 48
audit trail log...............................................105, 116
reason for change ........................................110
I
B instruction manuals ............................................... iii
instrument
backup ...................................................................3 administration .................................................. 3
batch files .............................................................51 parameters .................................................. 114
properties .....................................................109
system suitability ..........................................128
batch tables
L
export ..........................................................120
layout files ........................................................... 51
browsing files .......................................................51
lock screen .......................................................... 41
lockout operation ................................................... 8
C log
audit trail ..................................................... 105
check log browser............................................................ 3
program .......................................................139 login method.......................................................... 8
raw data .......................................................141
logout users......................................................... 43
check history
log browser ....................................................45
output window ................................................48 M
messaging function ............................................... 6
D
metadata files .................................................... 109
data acquisition method files ......................................................... 49
history ..........................................................115 properties .................................................... 106
system suitability ......................................... 125
data explorer ..................................................52, 82
minimum number of characters in passwords....... 8
data files...............................................................50
history ..........................................................111 MS library files..................................................... 51
properties .....................................................111
digits in display.....................................................32 N
P W
password wait time ................................................................ 6
expiration date................................................. 8 warranty.................................................................iv
minimum characters ........................................ 8
PC release .......................................................... 42
pdf files................................................................ 51
PDF reports....................................................... 137
R
real time batch control....................................... 130
reason for change ............................................. 110
release lockout .................................................... 42
report format files ................................................ 50
properties .................................................... 109
restore original data .......................................... 118
rights ................................................................... 12
rollback to original data ..................................... 118
rounding method ................................................. 32
S
screen lock ...................................................... 6, 41
security policy........................................................ 3
software validation ............................................ 139
system
administration functions ................................... 1
configuration ............................................... 114
configuration files .......................................... 51
policy .............................................................. 4
settings ........................................................... 3
system suitability ............................................... 125
real time batch control ................................. 130
U
user administration.......................................... 3, 19
user registration .................................................. 16
user release ........................................................ 42
UV library files ............................................... 51, 52
UV spectrum files ................................................ 51
V
validation ............................................................... 3